AB45352
5267-07-2 | 5-Pyrimidineacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB45352
ChemicalName
5-Pyrimidineacetic acid
CasNumber
5267-07-2
MolecularFormula
C6H6N2O2
MolecularWeight
138.12404
MdlNumber
MFCD09608122
Smiles
OC(=O)Cc1cncnc1
Complexity
121
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.3
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CatalogNumber: AB45352
ChemicalName: 5-Pyrimidineacetic acid
CasNumber: 5267-07-2
MolecularFormula: C6H6N2O2
MolecularWeight: 138.12404
MdlNumber: MFCD09608122
Smiles: OC(=O)Cc1cncnc1
Complexity: 121
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AB45352
ChemicalName:
5-Pyrimidineacetic acid
CasNumber:
5267-07-2
MolecularFormula:
C6H6N2O2
MolecularWeight:
138.12404
MdlNumber:
MFCD09608122
Smiles:
OC(=O)Cc1cncnc1
Complexity:
121
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1cncnc1)O
Complexity: 84.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1cncnc1)O
Complexity:
84.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB45354
ChemicalName: 10-Hydroxy-1-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)decan-1-one
CasNumber: 104966-97-4
MolecularFormula: C19H30O5
MolecularWeight: 338.4385
MdlNumber: MFCD14584418
Smiles: OCCCCCCCCCC(=O)c1c(C)cc(c(c1O)OC)OC
Complexity: 347
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 12
Xlogp3: 4.6
CatalogNumber:
AB45354
ChemicalName:
10-Hydroxy-1-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)decan-1-one
CasNumber:
104966-97-4
MolecularFormula:
C19H30O5
MolecularWeight:
338.4385
MdlNumber:
MFCD14584418
Smiles:
OCCCCCCCCCC(=O)c1c(C)cc(c(c1O)OC)OC
Complexity:
347
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
12
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(n1)N1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(n1)N1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__